2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one

C18H19NO — CID 68981520

IUPAC2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one
SMILESC=c1ccc2c(c1)C(C)(C)C(C1=CCCCC1=O)=CN=2
InChIInChI=1S/C18H19NO/c1-12-8-9-16-14(10-12)18(2,3)15(11-19-16)13-6-4-5-7-17(13)20/h6,8-11H,1,4-5,7H2,2-3H3
InChIKeyQPTCJVFAFIKCEM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.57
Rot. Bonds1

About 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one

2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one (PubChem CID 68981520) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one
PubChem CID68981520
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one
SMILESC=c1ccc2c(c1)C(C)(C)C(C1=CCCCC1=O)=CN=2
InChIInChI=1S/C18H19NO/c1-12-8-9-16-14(10-12)18(2,3)15(11-19-16)13-6-4-5-7-17(13)20/h6,8-11H,1,4-5,7H2,2-3H3
InChIKeyQPTCJVFAFIKCEM-UHFFFAOYSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one (CID 68981520) is 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one is C=c1ccc2c(c1)C(C)(C)C(C1=CCCCC1=O)=CN=2.
What is the InChIKey of 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one?
The InChIKey is QPTCJVFAFIKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-8-9-16-14(10-12)18(2,3)15(11-19-16)13-6-4-5-7-17(13)20/h6,8-11H,1,4-5,7H2,2-3H3.
What are the key properties of 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one?
2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-6-methylidenequinolin-3-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 68981520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).